SCHEMBL29184154

SCHEMBL29184154

CCCCCCCOc1cc(C=O)ccc1C=O

nearest known ligand 0.51

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
▸ FDPS P14324 1/20 0.51
▸ ALDH1A1 P00352 8/20 0.46
▸ HPGD P15428 5/20 0.43
▸ SMN1; SMN2 Q16637 4/20 0.43
▸ HTT P42858 3/20 0.43
▸ MAPT P10636 5/20 0.43
▸ NPSR1 Q6W5P4 3/20 0.43
▸ LMNA P02545 2/20 0.43
▸ TSHR P16473 1/20 0.42
▸ TDP1 Q9NUW8 2/20 0.42
▸ L3MBTL1 Q9Y468 2/20 0.42
▸ CYP2C9 P11712 2/20 0.41
▸ NPC1 O15118 1/20 0.41
▸ RAB9A P51151 1/20 0.41
▸ TLR8 Q9NR97 1/20 0.40
▸ CYP1A2 P05177 1/20 0.40
▸ HSP90AA1 P07900 1/20 0.40
▸ CYP2C19 P33261 1/20 0.40

Click a target to see other patent compounds predicted against it — the reverse direction, in place.

Similar compounds — the chemically nearest patent molecules

Nearest neighbours by Morgan-fingerprint cosine across the patent-compound collection, with each neighbour's top predicted target and the predicted targets it shares with this molecule.

Compoundsimilaritytop predictedshared targets
SCHEMBL28271354 1.00 FDPS (0.51) FDPSALDH1A1HPGDSMN1; SMN2HTT
SCHEMBL27821639 1.00 FDPS (0.51) FDPSALDH1A1HPGDSMN1; SMN2HTT
SCHEMBL18886645 1.00 FDPS (0.51) FDPSALDH1A1HPGDSMN1; SMN2HTT
SCHEMBL15087786 0.98 FDPS (0.53) FDPSALDH1A1HPGDSMN1; SMN2HTT
SCHEMBL26908625 0.94 FDPS (0.54) FDPSALDH1A1HPGDSMN1; SMN2HTT
SCHEMBL22160252 0.92 FDPS (0.54) FDPSALDH1A1HPGDSMN1; SMN2HTT
SCHEMBL28965219 0.89 FDPS (0.56) FDPSALDH1A1HPGDSMN1; SMN2HTT
SCHEMBL2945520 0.87 FDPS (0.63) FDPSALDH1A1HPGDSMN1; SMN2HTT
SCHEMBL5053914 0.87 FDPS (0.63) FDPSALDH1A1HPGDSMN1; SMN2HTT
SCHEMBL10497979 0.87 FDPS (0.63) FDPSALDH1A1HPGDSMN1; SMN2HTT

Similarity is cosine over the 2,048-bit Morgan fingerprint (≈ Tanimoto). Identical fingerprints score 1.00.

Patent provenance — the patents this molecule appears in, and who filed them

Claimed or disclosed in 1 patent. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-117510476-A Plinabulin derivative, preparation method and application thereof 中国科学院长春应用化学研究所 2024-02-06 — — CN disclosed
Send feedback